N-cyclopropyl-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide

C17H22N6O — CID 43816965

IUPACN-cyclopropyl-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(c2c3c(nc4ncnn24)CCC3)CC1
InChIInChI=1S/C17H22N6O/c24-15(20-12-4-5-12)11-6-8-22(9-7-11)16-13-2-1-3-14(13)21-17-18-10-19-23(16)17/h10-12H,1-9H2,(H,20,24)
InChIKeyQMNJIPOHJIRQRA-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.11
Rot. Bonds3

About N-cyclopropyl-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide

N-cyclopropyl-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide (PubChem CID 43816965) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is N-cyclopropyl-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide
PubChem CID43816965
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC NameN-cyclopropyl-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(c2c3c(nc4ncnn24)CCC3)CC1
InChIInChI=1S/C17H22N6O/c24-15(20-12-4-5-12)11-6-8-22(9-7-11)16-13-2-1-3-14(13)21-17-18-10-19-23(16)17/h10-12H,1-9H2,(H,20,24)
InChIKeyQMNJIPOHJIRQRA-UHFFFAOYSA-N
XLogP1.11
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide (CID 43816965) is N-cyclopropyl-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide is O=C(NC1CC1)C1CCN(c2c3c(nc4ncnn24)CCC3)CC1.
What is the InChIKey of N-cyclopropyl-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide?
The InChIKey is QMNJIPOHJIRQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c24-15(20-12-4-5-12)11-6-8-22(9-7-11)16-13-2-1-3-14(13)21-17-18-10-19-23(16)17/h10-12H,1-9H2,(H,20,24).
What are the key properties of N-cyclopropyl-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide?
N-cyclopropyl-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 43816965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).